586-42-5 | 3-Acetylbenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$16.00	$11.00
1g	98%	in stock	$18.00	$13.00
5g	95%	in stock	$31.00	$22.00
25g	98%	in stock	$62.00	$44.00

Description

• Catalog Number: AB44393
• Chemical Name: 3-Acetylbenzoic acid
• CAS Number: 586-42-5
• Molecular Formula: C9H8O3
• Molecular Weight: 164.1580
• MDL Number: MFCD00045847
• SMILES: CC(=O)c1cccc(c1)C(=O)O
• NSC Number: 2932

Computed Properties

• Complexity: 198
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.6

Upstream Synthesis Route

3-Acetylbenzoic acid, also known as acetyl salicylic acid, is a key compound widely used in chemical synthesis. its versatile properties make it a valuable ingredient in various reactions and processes within the field of chemistry.In chemical synthesis, 3-Acetylbenzoic acid is primarily utilized as a precursor in the production of aspirin, a commonly used pain reliever and anti-inflammatory medication. By undergoing specific reactions, 3-Acetylbenzoic acid can be converted into salicylic acid, which is then acetylated to form aspirin. This process of acylation is crucial in the pharmaceutical industry for the manufacturing of aspirin tablets and other related products.Furthermore, 3-Acetylbenzoic acid also serves as a vital component in the preparation of fragrances, dyes, and various organic compounds. Its ability to readily undergo reactions and form derivatives makes it an essential building block in synthesizing a range of chemicals with diverse applications.Overall, the application of 3-Acetylbenzoic acid in chemical synthesis highlights its significance in the creation of pharmaceuticals, fragrances, and other organic compounds, showcasing its versatility and importance in various industries.

Literature

• 3-Acetyl-benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20100701